1,7-dimethyl-3-(3-oxidanylpropyl)purine-2,6-dione

Systemtic Name: 1,7-dimethyl-3-(3-oxidanylpropyl)purine-2,6-dione Openeye Name: 3-(3-hydroxypropyl)-1,7-dimethyl-purine-2,6-dione CAS Name: 3-(3-hydroxypropyl)-1,7-dimethylpurine-2,6-dione IUPAC Name: 3-(3-hydroxypropyl)-1,7-dimethylpurine-2,6-dione Traditional Name: 3-(3-hydroxypropyl)-1,7-dimethyl-xanthine Formula: C10H14N4O3 MolecularWeight: 238.24316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2CCCO)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2CCCO)C

InChI

InChI=1S/C10H14N4O3/c1-12-6-11-8-7(12)9(16)13(2)10(17)14(8)4-3-5-15/h6,15H,3-5H2,1-2H3